SCHEMBL18893282

SCHEMBL18893282

CCCCCCC(CCCC)Cc1csc(C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PDE5A O76074 1/20 0.30
CA2 P00918 2/20 0.30
KCNH2 Q12809 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18893340 0.80 MAPT (0.39) SLC6A3LMNA
SCHEMBL22431621 0.78 MAPT (0.38) SLC6A3LMNAKCNH2
SCHEMBL19504086 0.75 MAPT (0.38) SLC6A3LMNA
SCHEMBL18935670 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL18893472 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL24826336 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL28293350 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL24919515 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL18937936 0.69 LMNA (0.37) SLC6A3LMNACA2
SCHEMBL13858984 0.69 TLR7 (0.41) GPR84CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 SLC6A3 236/4885DRD2 4309/4885HTR2A 3656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.